2-(1,2,4-triazol-1-yl)chromen-4-one

C11H7N3O2 — CID 10878499

IUPAC2-(1,2,4-triazol-1-yl)chromen-4-one
SMILESO=c1cc(-n2cncn2)oc2ccccc12
InChIInChI=1S/C11H7N3O2/c15-9-5-11(14-7-12-6-13-14)16-10-4-2-1-3-8(9)10/h1-7H
InChIKeyDKTARSLICHAGFF-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.37
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)chromen-4-one

2-(1,2,4-triazol-1-yl)chromen-4-one (PubChem CID 10878499) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)chromen-4-one.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)chromen-4-one
PubChem CID10878499
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2-(1,2,4-triazol-1-yl)chromen-4-one
SMILESO=c1cc(-n2cncn2)oc2ccccc12
InChIInChI=1S/C11H7N3O2/c15-9-5-11(14-7-12-6-13-14)16-10-4-2-1-3-8(9)10/h1-7H
InChIKeyDKTARSLICHAGFF-UHFFFAOYSA-N
XLogP1.37
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)chromen-4-one?
The IUPAC name of 2-(1,2,4-triazol-1-yl)chromen-4-one (CID 10878499) is 2-(1,2,4-triazol-1-yl)chromen-4-one.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)chromen-4-one?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)chromen-4-one is O=c1cc(-n2cncn2)oc2ccccc12.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)chromen-4-one?
The InChIKey is DKTARSLICHAGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-9-5-11(14-7-12-6-13-14)16-10-4-2-1-3-8(9)10/h1-7H.
What are the key properties of 2-(1,2,4-triazol-1-yl)chromen-4-one?
2-(1,2,4-triazol-1-yl)chromen-4-one has a molecular weight of 213.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)chromen-4-one is sourced from PubChem (CID 10878499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).